200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 18305-60-7
18305-60-7 | 2-Butenedioic acid (2Z)-, bis(1,1-dimethylethyl) ester
CAS No: 18305-60-7 Catalog No: AG0024DT MDL No:MFCD23381095
Product Description
Catalog Number:
AG0024DT
Chemical Name:
2-Butenedioic acid (2Z)-, bis(1,1-dimethylethyl) ester
CAS Number:
18305-60-7
Molecular Formula:
C12H20O4
Molecular Weight:
228.2848
MDL Number:
MFCD23381095
IUPAC Name:
ditert-butyl (Z)-but-2-enedioate
InChI:
InChI=1S/C12H20O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-8H,1-6H3/b8-7-
InChI Key:
MSVGHYYKWDQHFV-FPLPWBNLSA-N
SMILES:
O=C(OC(C)(C)C)/C=C\C(=O)OC(C)(C)C
NSC Number:
134487
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
228.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.288g/mol
Monoisotopic Mass:
228.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.